3-Thiopheneacetic acid

• CAS: 6964-21-2
• Catalog Number: ACM6964212
• Category: Thiophenes
• Molecular Weight: 142.18g/mol
• Molecular Formula: C6H6O2S
• Synonyms: 3-Thienylacetic acid
• IUPAC Name: 2-thiophen-3-ylacetic acid
• Canonical SMILES: C1=CSC=C1CC(=O)O
• InChI: InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
• InChI Key: RCNOGGGBSSVMAS-UHFFFAOYSA-N
• Melting Point: 73-76 °C(lit.)
• Appearance: Beige Powder
• Complexity: 114
• Covalently-Bonded Unit Count: 1
• EC Number: 230-166-1
• Exact Mass: 142.008851g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 142.008851g/mol
• NSC Number: 66315
• Rotatable Bond Count: 2
• UNII: 3B235D2C4J
• XLogP3: 1.1